Geometry & MOs

Info

ID:	261584
PubChem CID:	103241496
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	310.156243
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	3.0
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[ethyl(methylsulfonyl)amino]propylamino]-3-hydroxybutanoate

Drug info:

PubChemData

Smile

COC1=C(N=CNC1=O)OCC2CCOC2

DOS

IR

Vibrations